CID 52243

P-aminobenzoic acid 2-(1-(1-cyclohexyl)ethylamino)-2,2-dimethylethyl ester

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C1CCCCC1)NC(C)(C)COC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C19H30N2O2/c1-14(15-7-5-4-6-8-15)21-19(2,3)13-23-18(22)16-9-11-17(20)12-10-16/h9-12,14-15,21H,4-8,13,20H2,1-3H3
InChIKey
YBQBBQPIXOERME-UHFFFAOYSA-N
Compound name
[2-(1-cyclohexylethylamino)-2-methylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 179.2
[M+Na]+ 341.219958 179.8
[M-H]- 317.223464 183.5
[M+NH4]+ 336.264563 192.0
[M+K]+ 357.193898 177.2
[M+H-H2O]+ 301.228000 171.1
[M+HCOO]- 363.228941 196.0
[M+CH3COO]- 377.244591 213.4
[M+Na-2H]- 339.205406 179.2
[M]+ 318.23019142 174.0
[M]- 318.23128858 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.